SCHEMBL9944181

SCHEMBL9944181

CCOc1c(C)cc(C(=O)Nc2ccc(C(C)=O)cc2)cc1Br

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.62
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
MAPT P10636 8/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
TP53 P04637 3/20 0.51
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
GAA P10253 3/20 0.48
LMNA P02545 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
NR4A1 P22736 1/20 0.47
HSD17B10 Q99714 1/20 0.47
P4HTM Q9NXG6 2/20 0.46
HPSE Q9Y251 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9944195 0.92 MAPT (0.62) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL9944208 0.91 MAPT (0.52) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL9944137 0.90 MAPT (0.60) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL9944189 0.85 MAPT (0.54) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL9944194 0.85 KMT2A (0.56) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL9944207 0.85 KMT2A (0.53) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL9944150 0.85 MAPT (0.54) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL19697328 0.84 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL1459236 0.82 MEN1 (0.65) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL9944175 0.80 RAB9A (0.58) SMN1; SMN2NPC1RAB9AMAPTMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2012-06-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG SMN1; SMN2 696/4885NPC1 277/4885RAB9A 271/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.